N-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1-methylsulfonylpiperidin-4-amine

C15H28N2O2S — CID 99635515

IUPACN-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1-methylsulfonylpiperidin-4-amine
SMILESCC1=CCC[C@@H](C)[C@H]1CNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H28N2O2S/c1-12-5-4-6-13(2)15(12)11-16-14-7-9-17(10-8-14)20(3,18)19/h5,13-16H,4,6-11H2,1-3H3/t13-,15+/m1/s1
InChIKeyLUWMDWQYYHVCSQ-HIFRSBDPSA-N
MW300.47 g/mol
LogP1.99
Rot. Bonds4

About N-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1-methylsulfonylpiperidin-4-amine

N-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 99635515) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1-methylsulfonylpiperidin-4-amine
PubChem CID99635515
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC NameN-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1-methylsulfonylpiperidin-4-amine
SMILESCC1=CCC[C@@H](C)[C@H]1CNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H28N2O2S/c1-12-5-4-6-13(2)15(12)11-16-14-7-9-17(10-8-14)20(3,18)19/h5,13-16H,4,6-11H2,1-3H3/t13-,15+/m1/s1
InChIKeyLUWMDWQYYHVCSQ-HIFRSBDPSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1-methylsulfonylpiperidin-4-amine (CID 99635515) is N-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1-methylsulfonylpiperidin-4-amine is CC1=CCC[C@@H](C)[C@H]1CNC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is LUWMDWQYYHVCSQ-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-12-5-4-6-13(2)15(12)11-16-14-7-9-17(10-8-14)20(3,18)19/h5,13-16H,4,6-11H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of N-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1-methylsulfonylpiperidin-4-amine?
N-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 300.47 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 99635515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).